SCHEMBL16624847

SCHEMBL16624847

CCc1ccc(-c2ccc(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 1/20 0.45
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACP1 P24666 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17954315 0.90 CASP3 (0.46) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL16624805 0.84 ACSS2 (0.42) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL19021001 0.84 LTA4H (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL17954293 0.84 CYP11B1 (0.45) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL16628094 0.84 CYP11B1 (0.45) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL16624624 0.83 CYP4F2 (0.42) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL16631062 0.83 CYP11B1 (0.47) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL16624848 0.82 DGAT1 (0.41) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL16627148 0.81 FYN (0.39) CASP3SENP8SENP7SENP6CYP11B1
SCHEMBL16627145 0.81 LTA4H (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed